ChemSpider 2D Image | (~2~H_3_)Methyl phenylacetate | C9H7D3O2

(2H3)Methyl phenylacetate

  • Molecular FormulaC9H7D3O2
  • Average mass153.193 Da
  • Monoisotopic mass153.086914 Da
  • ChemSpider ID24604405
  • Non-standard isotope - Non-standard isotope


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2H3)Methyl phenylacetate [ACD/IUPAC Name]
(2H3)Methyl-phenylacetat [German] [ACD/IUPAC Name]
Benzeneacetic acid, methyl-d3 ester [ACD/Index Name]
Phénylacétate de (2H3)méthyle [French] [ACD/IUPAC Name]
Methyl-d3 phenylacetate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 218.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.4±3.0 kJ/mol
Flash Point: 90.6±0.0 °C
Index of Refraction: 1.505
Molar Refractivity: 42.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.87
ACD/KOC (pH 5.5): 284.95
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.87
ACD/KOC (pH 7.4): 284.95
Polar Surface Area: 26 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 142.2±3.0 cm3

Click to predict properties on the Chemicalize site






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